8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0393 |
| Compound Name: | 8-{[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CCOc1ccc2c(c1)C(CSc1nc3C(NC(C)=Nc3n1C)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.4434 |
| logD: | 2.4433 |
| logSw: | -3.1294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.943 |
| InChI Key: | HKGMGNYXYYDNGH-UHFFFAOYSA-N |